4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide

C21H26ClN3O3 — CID 24687977

IUPAC4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H26ClN3O3/c22-17-8-6-16(7-9-17)21(27)23-11-10-20(26)24-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10-13,15H2,(H,23,27)(H,24,26)
InChIKeyFUDOYRNVCJLELC-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.40
Rot. Bonds8

About 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide (PubChem CID 24687977) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
PubChem CID24687977
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H26ClN3O3/c22-17-8-6-16(7-9-17)21(27)23-11-10-20(26)24-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10-13,15H2,(H,23,27)(H,24,26)
InChIKeyFUDOYRNVCJLELC-UHFFFAOYSA-N
XLogP3.40
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
1-[(2,4-dichlorophenyl)methyl]-4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N-(furan-2-ylmethyl)piperazine-2-carboxamide
CID 168273403
(2S)-1-[(2,4-dichlorophenyl)methyl]-4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N-(furan-2-ylmethyl)piperazine-2-carboxamide
CID 168280065
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
2-chloro-N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-6-fluorobenzamide
CID 4879644
3-cyano-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 4884702
N-[2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 5766751
N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6463437
N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6464004
N-(2-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)furan-2-carboxamide
CID 6490898
N-{2-[(3,4-dichlorobenzoyl)amino]ethyl}-2-furamide
CID 6490902

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide (CID 24687977) is 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is FUDOYRNVCJLELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-17-8-6-16(7-9-17)21(27)23-11-10-20(26)24-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10-13,15H2,(H,23,27)(H,24,26).
What are the key properties of 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 403.91 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24687977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).